Fluoropropane C3H7F structure

C3H7F structure
Molecular Formula C3H7F
Average mass 62.086 Da
Density 0.7±0.1 g/cm3
Boiling Point -0.4±3.0 °C at 760 mmHg
Flash Point -50.5±10.2 °C
Molar Refractivity 16.1±0.3 cm3
Polarizability 6.4±0.5 10-24cm3
Surface Tension 13.8±3.0 dyne/cm
Molar Volume 83.5±3.0 cm3

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density: 0.7±0.1 g/cm3
Boiling Point: -0.4±3.0 °C at 760 mmHg
Vapour Pressure: 1833.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 23.9±3.0 kJ/mol
Flash Point: -50.5±10.2 °C
Index of Refraction: 1.310
Molar Refractivity: 16.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 5.93
ACD/KOC (pH 5.5): 124.39
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.93
ACD/KOC (pH 7.4): 124.39
Polar Surface Area: 0 Å2
Polarizability: 6.4±0.5 10-24cm3
Surface Tension: 13.8±3.0 dyne/cm
Molar Volume: 83.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

 
 Log Octanol-Water Partition Coef (SRC):
 Log Kow (KOWWIN v1.67 estimate) = 1.76

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
 Boiling Pt (deg C): -5.04 (Adapted Stein & Brown method)
 Melting Pt (deg C): -132.80 (Mean or Weighted MP)
 VP(mm Hg,25 deg C): 1.64E+003 (Mean VP of Antoine & Grain methods)
 MP (exp database): -159 deg C
 BP (exp database): 2.5 deg C
 VP (exp database): 2.01E+03 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
 Water Solubility at 25 deg C (mg/L): 4344
 log Kow used: 1.76 (estimated)
 no-melting pt equation used

 Water Sol Estimate from Fragments:
 Wat Sol (v1.01 est) = 3082.6 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
 Class(es) found:
 Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
 Bond Method : 2.90E-002 atm-m3/mole
 Group Method: Incomplete
 Henrys LC [VP/WSol estimate using EPI values]: 1.429E-002 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
 Log Kow used: 1.76 (KowWin est)
 Log Kaw used: 0.074 (HenryWin est)
 Log Koa (KOAWIN v1.10 estimate): 1.686
 Log Koa (experimental database): None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
 Biowin1 (Linear Model) : 0.7180
 Biowin2 (Non-Linear Model) : 0.8935
 Expert Survey Biodegradation Results:
 Biowin3 (Ultimate Survey Model): 3.0620 (weeks )
 Biowin4 (Primary Survey Model) : 3.7582 (days )
 MITI Biodegradation Probability:
 Biowin5 (MITI Linear Model) : 0.6441
 Biowin6 (MITI Non-Linear Model): 0.0850
 Anaerobic Biodegradation Probability:
 Biowin7 (Anaerobic Linear Model): 0.8085
 Ready Biodegradability Prediction: YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
 Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
 Vapor pressure (liquid/subcooled): 2.68E+005 Pa (2.01E+003 mm Hg)
 Log Koa (Koawin est ): 1.686
 Kp (particle/gas partition coef. (m3/ug)):
 Mackay model : 1.12E-011 
 Octanol/air (Koa) model: 1.19E-011 
 Fraction sorbed to airborne particulates (phi):
 Junge-Pankow model : 4.04E-010 
 Mackay model : 8.96E-010 
 Octanol/air (Koa) model: 9.53E-010 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
 Hydroxyl Radicals Reaction:
 OVERALL OH Rate Constant = 0.8450 E-12 cm3/molecule-sec
 Half-Life = 12.658 Days (12-hr day; 1.5E6 OH/cm3)
 Ozone Reaction:
 No Ozone Reaction Estimation
 Fraction sorbed to airborne particulates (phi): 6.5E-010 (Junge,Mackay)
 Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
 Koc : 43.79
 Log Koc: 1.641 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
 Total Kb for pH > 8 at 25 deg C : 3.654E-017 L/mol-sec
 Kb Half-Life at pH 8: 6.011E+014 years 
 Kb Half-Life at pH 7: 6.011E+015 years 

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
 Log BCF from regression-based method = 0.652 (BCF = 4.484)
 log Kow used: 1.76 (estimated)

 Volatilization from Water:
 Henry LC: 0.029 atm-m3/mole (estimated by Bond SAR Method)
 Half-Life from Model River: 0.82 hours (49.20 min)
 Half-Life from Model Lake : 75.02 hours (3.126 days)

 Removal In Wastewater Treatment:
 Total removal: 91.86 percent
 Total biodegradation: 0.02 percent
 Total sludge adsorption: 0.51 percent
 Total to Air: 91.32 percent
 (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
 Mass Amount Half-Life Emissions
 (percent) (hr) (kg/hr)
 Air 50.5 304 1000 
 Water 47 360 1000 
 Soil 2.35 720 1000 
 Sediment 0.132 3.24e+003 0 
 Persistence Time: 132 hr




 

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